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ENAMINE-ZINC03462678

 MMsINC code: MMs01458052
Type: Neutral
Formula: C19H17Cl2N3O3
SMILES:   Clc1ccccc1C1(NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O)C
InChI:   InChI=1/C19H17Cl2N3O3/c1-19(14-4-2-3-5-15(14)21)17(26)24(18(27)23-19)11-16(25)22-10-12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,22,25)(H,23,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.0738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.269 g/mol  logS: -5.53865  SlogP: 3.6547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622138  Sterimol/B1: 2.00808  Sterimol/B2: 4.41323  Sterimol/B3: 4.74596
  Sterimol/B4: 5.79797  Sterimol/L: 20.0059 
 
 Surface and Volume Properties
  Accessible surface: 634.838  Positive charged surface: 308.97  Negative charged surface: 325.868  Volume: 348.625
  Hydrophobic surface: 492.6  Hydrophilic surface: 142.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.